1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

C19H24N2O3 — CID 111453141

IUPAC1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCCOc1cccc(NC(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-2-24-18-10-6-9-17(13-18)21-19(23)20-14-16(11-12-22)15-7-4-3-5-8-15/h3-10,13,16,22H,2,11-12,14H2,1H3,(H2,20,21,23)
InChIKeyPOHXXQNTBQEDSE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.37
Rot. Bonds8

About 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111453141) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111453141
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCCOc1cccc(NC(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-2-24-18-10-6-9-17(13-18)21-19(23)20-14-16(11-12-22)15-7-4-3-5-8-15/h3-10,13,16,22H,2,11-12,14H2,1H3,(H2,20,21,23)
InChIKeyPOHXXQNTBQEDSE-UHFFFAOYSA-N
XLogP3.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
5-[(3-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686439
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (CID 111453141) is 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is CCOc1cccc(NC(=O)NCC(CCO)c2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is POHXXQNTBQEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-24-18-10-6-9-17(13-18)21-19(23)20-14-16(11-12-22)15-7-4-3-5-8-15/h3-10,13,16,22H,2,11-12,14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111453141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).